N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2900-0275 |
| Compound Name: | N-{5-[2-(4-chlorobenzene-1-sulfonyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 466.92 |
| Molecular Formula: | C18 H15 Cl N4 O5 S2 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1nnc(CCS(c2ccc(cc2)[Cl])(=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9449 |
| logD: | 2.049 |
| logSw: | -4.5027 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.215 |
| InChI Key: | HRJDYNJLQDSUKZ-UHFFFAOYSA-N |